[molpro-user] Error in molpro test jobs

Cayo Emilio cayoquimica at gmail.com
Fri Apr 8 18:33:57 CEST 2016

Dear Molpro community,

I am trying to make some tests about Molpro's 2012.1.15 performance. I was
able to install it correctly on a Ubuntu system, with gfortran, MKL and
I am now trying to install it with ifort, MKL and impi and I am having some
problems with the test jobs.
I discovered that recent fortran versions may have problems, so I got the
2011 ifort (MKL and impi also, which probably was used in Molpro 2012
tests), version number 13.0.1. I am trying to install it on a Ubuntu 12.04
The following test jobs are giving erros:

n2_fciqmc.test (this is taking too long in full ci program. I left it
running for more than 12 hours and it didn't printed anything in the full
ci part of the output)

This ones are all returning wrong properties. Only one .errout is attached,
the others have very similar errors.

I don't know how to proceed, any help will be appreciated.
Thanks in advance

Cayo Gonçalves
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